benzyl-bis(2-ethylhexyl)-methylazanium

C24H44N+ — CID 21149842

IUPACbenzyl-bis(2-ethylhexyl)-methylazanium
SMILESCCCCC(CC)C[N+](C)(Cc1ccccc1)CC(CC)CCCC
InChIInChI=1S/C24H44N/c1-6-10-15-22(8-3)19-25(5,20-23(9-4)16-11-7-2)21-24-17-13-12-14-18-24/h12-14,17-18,22-23H,6-11,15-16,19-21H2,1-5H3/q+1
InChIKeyGWBLZWWPGWZZPQ-UHFFFAOYSA-N
MW346.62 g/mol
LogP7.07
Rot. Bonds14

About benzyl-bis(2-ethylhexyl)-methylazanium

benzyl-bis(2-ethylhexyl)-methylazanium (PubChem CID 21149842) has the molecular formula C24H44N+ and a molecular weight of 346.62 g/mol. Its IUPAC name is benzyl-bis(2-ethylhexyl)-methylazanium.

Molecular Properties

Compound Namebenzyl-bis(2-ethylhexyl)-methylazanium
PubChem CID21149842
Molecular FormulaC24H44N+
Molecular Weight346.62 g/mol
Exact Mass346.35
IUPAC Namebenzyl-bis(2-ethylhexyl)-methylazanium
SMILESCCCCC(CC)C[N+](C)(Cc1ccccc1)CC(CC)CCCC
InChIInChI=1S/C24H44N/c1-6-10-15-22(8-3)19-25(5,20-23(9-4)16-11-7-2)21-24-17-13-12-14-18-24/h12-14,17-18,22-23H,6-11,15-16,19-21H2,1-5H3/q+1
InChIKeyGWBLZWWPGWZZPQ-UHFFFAOYSA-N
XLogP7.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.62
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

benzyl-(2,4-diethyloctyl)-dimethylazanium chloride
CID 139299496
benzyl-dimethyl-octadecan-3-ylazanium
CID 130404888
(2R)-N-benzyl-2-ethylhexan-1-amine
CID 11651454
benzyl-dimethyl-(2-octan-4-ylphenyl)azanium chloride
CID 88779822
dibenzyl-ethyl-methylazanium
CID 87490135
benzyl-methyl-octadecyl-propylazanium
CID 158066807
3-ethylundecylbenzene
CID 101046196
2,2-dimethylpropyl-bis(2-ethylhexyl)-methylazanium
CID 126735328
benzyl-dodecyl-ethyl-methylazanium chloride
CID 22311759
(2R)-2-benzyl-N,N-dimethylhexan-1-amine
CID 10021640
5-ethyl-1-phenylnonan-3-amine
CID 63417135
benzyl-ethyl-methyl-(pentoxymethyl)azanium
CID 174437002

Frequently Asked Questions

What is the IUPAC name of benzyl-bis(2-ethylhexyl)-methylazanium?
The IUPAC name of benzyl-bis(2-ethylhexyl)-methylazanium (CID 21149842) is benzyl-bis(2-ethylhexyl)-methylazanium.
What is the SMILES notation for benzyl-bis(2-ethylhexyl)-methylazanium?
The canonical SMILES for benzyl-bis(2-ethylhexyl)-methylazanium is CCCCC(CC)C[N+](C)(Cc1ccccc1)CC(CC)CCCC.
What is the InChIKey of benzyl-bis(2-ethylhexyl)-methylazanium?
The InChIKey is GWBLZWWPGWZZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N/c1-6-10-15-22(8-3)19-25(5,20-23(9-4)16-11-7-2)21-24-17-13-12-14-18-24/h12-14,17-18,22-23H,6-11,15-16,19-21H2,1-5H3/q+1.
What are the key properties of benzyl-bis(2-ethylhexyl)-methylazanium?
benzyl-bis(2-ethylhexyl)-methylazanium has a molecular weight of 346.62 g/mol, XLogP of 7.07, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-bis(2-ethylhexyl)-methylazanium is sourced from PubChem (CID 21149842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).